N-(3-azanyl-4-chloranyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide

Systemtic Name: N-(3-azanyl-4-chloranyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide Openeye Name: N-(3-amino-4-chloro-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide CAS Name: N-(3-amino-4-chlorophenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]butanamide IUPAC Name: N-(3-amino-4-chlorophenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: N-(3-amino-4-chloro-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]butyramide Formula: C13H16ClN5OS MolecularWeight: 325.81704

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCCCC(=O)NC2=CC(=C(C=C2)Cl)N

Isomeric SMILES

CN1C=NN=C1SCCCC(=O)NC2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C13H16ClN5OS/c1-19-8-16-18-13(19)21-6-2-3-12(20)17-9-4-5-10(14)11(15)7-9/h4-5,7-8H,2-3,6,15H2,1H3,(H,17,20)